2,5,6-trimethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrimidin-4-amine

C15H22N4O — CID 72897962

IUPAC2,5,6-trimethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrimidin-4-amine
SMILESCc1nc(C)c(C)c(NCc2cc(CC(C)C)on2)n1
InChIInChI=1S/C15H22N4O/c1-9(2)6-14-7-13(19-20-14)8-16-15-10(3)11(4)17-12(5)18-15/h7,9H,6,8H2,1-5H3,(H,16,17,18)
InChIKeyUUCIVCLCARDGSO-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.20
Rot. Bonds5

About 2,5,6-trimethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrimidin-4-amine

2,5,6-trimethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrimidin-4-amine (PubChem CID 72897962) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2,5,6-trimethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trimethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrimidin-4-amine
PubChem CID72897962
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2,5,6-trimethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrimidin-4-amine
SMILESCc1nc(C)c(C)c(NCc2cc(CC(C)C)on2)n1
InChIInChI=1S/C15H22N4O/c1-9(2)6-14-7-13(19-20-14)8-16-15-10(3)11(4)17-12(5)18-15/h7,9H,6,8H2,1-5H3,(H,16,17,18)
InChIKeyUUCIVCLCARDGSO-UHFFFAOYSA-N
XLogP3.20
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2,5,6-trimethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrimidin-4-amine (CID 72897962) is 2,5,6-trimethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trimethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2,5,6-trimethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrimidin-4-amine is Cc1nc(C)c(C)c(NCc2cc(CC(C)C)on2)n1.
What is the InChIKey of 2,5,6-trimethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is UUCIVCLCARDGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-9(2)6-14-7-13(19-20-14)8-16-15-10(3)11(4)17-12(5)18-15/h7,9H,6,8H2,1-5H3,(H,16,17,18).
What are the key properties of 2,5,6-trimethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrimidin-4-amine?
2,5,6-trimethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 274.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 72897962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).